- InChI
- InChI=1S/C32H54O2/c1-21(9-14-28(33)34-7)22-10-11-24-23(22)15-19-31(5)25(24)12-13-27-30(4)18-8-17-29(2,3)26(30)16-20-32(27,31)6/h21-27H,8-20H2,1-7H3/t21?,22-,23+,24?,25?,26?,27?,30+,31-,32-/m0/s1
- InChI Key
- NUZFPUBWBRFCKH-UYSGOOEHSA-N
- Formula
- C32H54O2
- SMILES
-
COC(=O)CCC(C)C1CCC2C1CCC1(C)C2
CCC2C3(C)CCCC(C)(C)C3CCC21C - Molecular Weight1
- 470.77
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 152.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.04 | kJ/mol | Joback Calculated Property |
| log10WS | -8.90 | Crippen Calculated Property | |
| logPoct/wat | 8.677 | Crippen Calculated Property | |
| McVol | 414.880 | ml/mol | McGowan Calculated Property |
| Pc | 854.46 | kPa | Joback Calculated Property |
| Inp | 3657.00 | NIST | |
| Tboil | 1044.34 | K | Joback Calculated Property |
| Tc | 1287.38 | K | Joback Calculated Property |
| Tfus | 650.54 | K | Joback Calculated Property |
| Vc | 1.569 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1704.12; 2090.68] | J/mol×K | [1044.34; 1287.38] | 
|
| Cp,gas | 1704.12 | J/mol×K | 1044.34 | Joback Calculated Property |
| Cp,gas | 1756.65 | J/mol×K | 1084.85 | Joback Calculated Property |
| Cp,gas | 1813.04 | J/mol×K | 1125.35 | Joback Calculated Property |
| Cp,gas | 1873.98 | J/mol×K | 1165.86 | Joback Calculated Property |
| Cp,gas | 1940.12 | J/mol×K | 1206.37 | Joback Calculated Property |
| Cp,gas | 2012.13 | J/mol×K | 1246.88 | Joback Calculated Property |
| Cp,gas | 2090.68 | J/mol×K | 1287.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 28-bishomopan-32-oic acid methyl ester.
Sources
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